IFLab1_003996
TL;DR: IFLab1_003996 (CAS 332052-10-5) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-4-pentan-2-yl-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: IFLab1_003996, CC 9093, BAS 00866427, 2-amino-7,7-dimethyl-5-oxo-4-(pentan-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, AB00103062-01
| Molecular Formula | C17H24N2O2 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | 3.40608 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.18378 |
| Heavy Atoms | 21 |
| Complexity | 563.8294 |
Chemical Identifiers
| CAS Number | 332052-10-5 |
|---|---|
| SMILES | CCCC(C)C1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N |
Product Overview
IFLab1_003996 (CAS 332052-10-5), with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-pentan-2-yl-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of IFLab1_003996
Property Insights of IFLab1_003996
The XLogP value of 3.40608 indicates that IFLab1_003996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003996. Following Lipinski's Rule of Five, IFLab1_003996 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_003996?
The CAS number of IFLab1_003996 is 332052-10-5.
What is the molecular formula of IFLab1_003996?
The molecular formula of IFLab1_003996 is C17H24N2O2.
What is the molecular weight of IFLab1_003996?
The molecular weight of IFLab1_003996 is 288.18 g/mol.
Where can I buy IFLab1_003996?
You can request a quote for IFLab1_003996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003996?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.